SCHEMBL11577018

SCHEMBL11577018

O=C1C(=Cc2ccccc2)CCCC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
HPGD P15428 4/20 0.56
CYP1A2 P05177 2/20 0.54
F3 P13726 1/20 0.54
ALDH1A1 P00352 7/20 0.53
HTT P42858 2/20 0.53
MGAM O43451 3/20 0.46
GAA P10253 3/20 0.46
SI P14410 3/20 0.46
MGAM2 Q2M2H8 3/20 0.46
MIF P14174 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
RCE1 Q9Y256 1/20 0.44
LMNA P02545 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
EGFR P00533 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11577013 1.00 MAPT (0.56) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL8882860 0.90 AKR1C3 (0.51) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL11575448 0.90 AKR1C3 (0.51) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL8882866 0.90 AKR1C3 (0.51) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL9048079 0.86 MAPT (0.47) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL8675213 0.79 HPGD (0.61) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL3437937 0.79 HPGD (0.61) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL3437935 0.79 HPGD (0.61) MAPTHPGDCYP1A2F3ALDH1A1
SCHEMBL1617137 0.78 MAP1LC3B (0.44) MAPTHPGDALDH1A1HTTRCE1
SCHEMBL29951077 0.77 MAPT (0.56) MAPTHPGDCYP1A2F3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118558-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-10-03 US disclosed
US-4085142-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1978-04-18 US disclosed
US-4085280-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1978-04-18 US disclosed